CHEMBL4098859


SMILES CCCN(CCCCOc1ccn2ncc(/C=N\O)c2c1)[C@H]1CCc2c(O)cccc2C1
InChIKey MWAPGIGSNBMUAD-CCPXZDFDSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 436.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 5.75 5.75 5.75 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.7 8.7 8.7 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.8 5.8 5.8 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.23 9.23 9.23 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.66 8.86 9.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 7.88 8.94 9.77 ChEMBL